SCHEMBL111191

SCHEMBL111191

COc1cc(CN)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.69
HTR2C P28335 2/20 0.69
HTR2B P41595 2/20 0.69
PTGS2 P35354 1/20 0.64
AOC3 Q16853 2/20 0.55
CYP19A1 P11511 1/20 0.55
ACHE P22303 1/20 0.52
TUBB4A P04350 3/20 0.52
TUBB P07437 3/20 0.52
TUBA3C P0DPH7 3/20 0.52
TUBA1B P68363 3/20 0.52
TUBA4A P68366 3/20 0.52
TUBB4B P68371 3/20 0.52
TUBB3 Q13509 3/20 0.52
TUBB2A Q13885 3/20 0.52
TUBB8 Q3ZCM7 3/20 0.52
TUBA3E Q6PEY2 3/20 0.52
TUBA1A Q71U36 3/20 0.52
TUBA1C Q9BQE3 3/20 0.52
TUBB6 Q9BUF5 3/20 0.52

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
Hydrochloric Acid SCHEMBL7018172 0.98 HTR2A (0.67) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL21264327 0.89 HTR2A (0.57) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL12172998 0.87 HTR2A (0.55) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL26105211 0.87 SPIN1 (0.56) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL10050295 0.86 HTR2A (0.53) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL3566176 0.86 HTR2A (0.53) HTR2AHTR2CHTR2BPTGS2TUBB4A
Pyrimidine SCHEMBL29020037 0.85 HTR2A (0.53) HTR2AHTR2CHTR2BPTGS2AOC3
Mescaline SCHEMBL25170531 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BPTGS2AOC3
Mescaline SCHEMBL34190 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL22824546 0.81 HTR2A (0.49) HTR2AHTR2CHTR2BPTGS2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546676-A Method for improving perovskite laser performance based on triplet state energy level regulation and control of organic ligand 天津大学 2024-08-27 CN claimed
EP-3294741-B1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISO PROPYLPYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-05-01 EP claimed
CN-108975426-A A kind of paper waste organic agent and preparation method thereof 宁波帝杨电子科技有限公司 2018-12-11 CN claimed
US-9957273-B2 5-substituted 7- [4-(2-pyridyl)phenylmethylamino] -3-isopropylpyrazolo4,3-D]pyrimidine derivatives, use thereof as medicaments, and pharmaceutical compositions USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-05-01 US claimed
EP-3294741-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) 2018-03-21 EP claimed
US-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-03-15 US claimed
US-9833768-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-12-05 US claimed
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION IMPOSSIBLE FOODS INC. 2017-11-09 US claimed
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 US claimed
WO-2016180380-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2016-11-17 WO claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP 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 (2 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-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS CDK5, CDK2, CDK4 HTR2A 4070/4885HTR2C 3323/4885HTR2B 3798/4885
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A HTR2A 4416/4885HTR2C 4586/4885HTR2B 4279/4885

“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.