SCHEMBL310055

SCHEMBL310055

COc1cc(N2CCC(N(C)C)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.45
EGFR P00533 3/20 0.43
ALK Q9UM73 5/20 0.43
AURKA O14965 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
ROS1 P08922 1/20 0.42
EML4 Q9HC35 1/20 0.42
PLK1 P53350 5/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DPP4 P27487 3/20 0.41
STAT3 P40763 1/20 0.40

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
SCHEMBL29661369 1.00 SUV39H2 (0.45) SUV39H2EGFRALKAURKAINSR
Hydrochloric Acid SCHEMBL29367159 0.99 SUV39H2 (0.44) SUV39H2EGFRALKAURKAINSR
SCHEMBL10206636 0.92 ALK (0.44) SUV39H2EGFRALKAURKAINSR
SCHEMBL14240636 0.92 NTSR1 (0.47) SUV39H2ALKINSRIGF1RALDH1A1
SCHEMBL520746 0.92 NTSR1 (0.47) SUV39H2ALKINSRIGF1RALDH1A1
SCHEMBL24603026 0.89 SUV39H2 (0.45) SUV39H2EGFRALKAURKAINSR
SCHEMBL3132203 0.88 ACVR1 (0.45) SUV39H2EGFRALKAURKAINSR
SCHEMBL17411139 0.87 FFAR4 (0.40) SUV39H2EGFRALKAURKAINSR
SCHEMBL28065615 0.85 EGFR (0.42) SUV39H2EGFRALKAURKAINSR
SCHEMBL17265199 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039775-B2 Preparation method for antitumor drug AP26113 SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-08-07 US claimed
US-20180071324-A1 PREPARATION METHOD FOR ANTITUMOR DRUG AP26113 SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-03-15 US claimed
EP-4725487-A1 NOVEL COMPOUND AND PREPARATION METHOD THEREFOR Astrion Inc. (KR) 2026-04-15 EP disclosed
EP-4725488-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BRAIN TUMOR Astrion Inc. (KR) 2026-04-15 EP disclosed
WO-2025110777-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF BREAST CANCER 주식회사 에스트리온 2025-05-30 WO disclosed
WO-2025110778-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HEAD AND NECK CANCER 주식회사 에스트리온 2025-05-30 WO disclosed
US-20250171416-A2 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-05-29 US disclosed
WO-2024253476-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BRAIN TUMOR 주식회사 에스트리온 2024-12-12 WO disclosed
WO-2024253475-A1 NOVEL COMPOUND AND PREPARATION METHOD THEREFOR 주식회사 에스트리온 2024-12-12 WO disclosed
US-20240352000-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2024-10-24 US disclosed
EP-4371983-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2024-05-22 EP disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed

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

For each of this compound's patents that has machine-readable text (7 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-20180071324-A1 PREPARATION METHOD FOR ANTITUMOR DRUG AP26113 ATG13, CMPK1, USP13 SUV39H2 3150/4885EGFR 1302/4885ALK 516/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SUV39H2 2240/4885EGFR 491/4885ALK 144/4885
US-10039775-B2 Preparation method for antitumor drug AP26113 ATG13, CMPK1, USP13 SUV39H2 3150/4885EGFR 1302/4885ALK 516/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SUV39H2 2240/4885EGFR 491/4885ALK 144/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD SUV39H2 3074/4885EGFR 2285/4885ALK 3200/4885
US-20240352000-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER WEE2, WEE1, ERBB2 SUV39H2 3174/4885EGFR 6/4885ALK 1560/4885
US-20250171416-A2 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER WEE2, WEE1, ERBB2 SUV39H2 3174/4885EGFR 6/4885ALK 1560/4885

“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.