SCHEMBL456393

SCHEMBL456393

c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 1.00
ACVR1B P36896 14/20 1.00
BMPR1A P36894 14/20 1.00
ACVRL1 P37023 14/20 1.00
BMPR1B O00238 12/20 1.00
KDR P35968 4/20 1.00
TGFBR1 P36897 4/20 1.00
TGFBR2 P37173 4/20 1.00
BMPR2 Q13873 4/20 1.00
PRKAB1 Q9Y478 4/20 1.00
BMP4 P12644 4/20 1.00
RIPK2 O43353 1/20 1.00
ACVR2A P27037 1/20 1.00
ACVR2B Q13705 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29353046 1.00 ACVR1 (1.00) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL22462135 0.99 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL29634729 0.99 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL2059683 0.99 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL29373122 0.99 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hypochlorous Acid SCHEMBL26968209 0.97 ACVR1B (0.94) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL24908393 0.94 ACVR1B (0.89) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL29391702 0.93 ACVR1 (1.00) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
SCHEMBL16025991 0.93 ACVR1 (1.00) ACVR1ACVR1BBMPR1AACVRL1BMPR1B
Hydrochloric Acid SCHEMBL30388107 0.92 ACVR1 (0.98) ACVR1ACVR1BBMPR1AACVRL1BMPR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 627 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692329-A1 COMPOSITION FOR INDUCING DIRECT DIFFERENTIATION OF STEM CELLS INTO CORNEAL ENDOTHELIAL CELLS AND METHOD FOR INDUCING DIRECT DIFFERENTIATION USING SAME The Asan Foundation (KR) 2026-02-11 EP claimed
EP-4079314-B1 METHODS OF IN VITRO DIFFERENTIATION OF MIDBRAIN DOPAMINE (MDA) NEURONS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2025-10-29 EP claimed
EP-4070803-B1 METHODS OF IN VITRO DIFFERENTIATION OF MIDBRAIN DOPAMINE (MDA) NEURONS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2025-10-08 EP claimed
EP-3047017-B1 METHODS OF MAMMALIAN RETINAL STEM CELL PRODUCTION AND APPLICATIONS UNIV CALIFORNIA (US) 2025-09-10 EP claimed
WO-2024210619-A1 COMPOSITION FOR INDUCING DIRECT DIFFERENTIATION OF STEM CELLS INTO CORNEAL ENDOTHELIAL CELLS AND METHOD FOR INDUCING DIRECT DIFFERENTIATION USING SAME 재단법인 아산사회복지재단 2024-10-10 WO claimed
US-12084679-B2 Methods of in vitro differentiation of midbrain dopamine (mDA) neurons MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-09-10 US claimed
WO-2024079755-A1 A SCALABLE METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIUM (RPE) CELLS EYESTEM RESEARCH PRIVATE LIMITED (IN) 2024-04-18 WO claimed
WO-2024052931-A1 A PROTOCOL FOR GENERATING NEURAL PROGENITOR CELLS AND IMPLEMENTATIONS THEREOF EYESTEM RESEARCH PRIVATE LIMITED (IN) 2024-03-14 WO claimed
US-20230323294-A1 DIFFERENTIATION OF CORTICAL NEURONS FROM HUMAN PLURIPOTENT STEM CELLS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-10-12 US claimed
EP-4079314-A1 METHODS OF IN VITRO DIFFERENTIATION OF MIDBRAIN DOPAMINE (MDA) NEURONS Memorial Sloan-Kettering Cancer Center (US) 2022-10-26 EP claimed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US claimed
WO-2015087231-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-18 WO claimed
US-20150159134-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-11 US claimed
WO-2015061568-A1 REPROGRAMMING CARDIOMYOCYTES WITH ONE TRANSCRIPTION FACTOR THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-04-30 WO claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
US-8883502-B2 Expandable cell source of neuronal stem cell populations and methods for obtaining and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-11 US claimed
US-20130236436-A1 EXPANDABLE CELL SOURCE OF NEURONAL STEM CELL POPULATIONS AND METHODS FOR OBTAINING AND USNIG THEM ZHANG KANG (US) 2013-09-12 US claimed
US-20130071931-A1 PROCESS FOR HEPATIC DIFFERENTIATION FROM INDUCED HEPATIC STEM CELLS, AND INDUCED HEPATIC PROGENITOR CELLS DIFFERENTIATED THEREBY NATIONAL CANCER CENTER (JP) 2013-03-21 US claimed
US-20120142093-A1 METHOD FOR INDUCING DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO NEURAL PRECURSOR CELLS KYOTO UNIVERSITY (JP) 2012-06-07 US claimed
WO-2012034101-A2 EXPANDABLE CELL SOURCE OF NEURONAL STEM CELL POPULATIONS AND METHODS FOR OBTAINING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150159134-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS ALDH1A2, ALDH1A3, EYA3 ACVR1 3649/4885ACVR1B 3755/4885BMPR1A 3681/4885
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 ACVR1 514/4885ACVR1B 607/4885BMPR1A 1236/4885
US-12084679-B2 Methods of in vitro differentiation of midbrain dopamine (mDA) neurons CHAT, DCX, DBH ACVR1 4249/4885ACVR1B 3509/4885BMPR1A 3573/4885
US-20230323294-A1 DIFFERENTIATION OF CORTICAL NEURONS FROM HUMAN PLURIPOTENT STEM CELLS CHAT, DCX, NES ACVR1 3778/4885ACVR1B 3162/4885BMPR1A 3030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.