SCHEMBL310068

SCHEMBL310068

COc1cc(N2CCC(O)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LGMN Q99538 1/20 0.43
CHEK1 O14757 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
DPP4 P27487 4/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE7A Q13946 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
ALK Q9UM73 1/20 0.40
DCLK1 O15075 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
SCHEMBL3345453 1.00 NTSR1 (0.43) NTSR1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL30682434 1.00 NTSR1 (0.43) NTSR1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL10205069 0.92 ALK (0.43) NTSR1ALDH1A1LGMNCHEK1SUV39H2
SCHEMBL5406594 0.91 DPP4 (0.46) NTSR1ALDH1A1CYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL5387731 0.90 DPP4 (0.45) NTSR1ALDH1A1CYP3A4SUV39H2DPP4
SCHEMBL24073829 0.88 CHEK1 (0.46) NTSR1ALDH1A1CYP3A4LGMNCHEK1
SCHEMBL17265199 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL520117 0.87 SLC6A4 (0.40) NTSR1LGMNSUV39H2DPP4PDE7A
SCHEMBL519205 0.87 SLC6A4 (0.40) NTSR1LGMNSUV39H2DPP4PDE7A
SCHEMBL519204 0.87 SLC6A4 (0.40) NTSR1LGMNSUV39H2DPP4PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516977-B Anilinopyrimidine/quinoline heterocomplex, preparation method and medical application 长治学院 2020-01-10 CN claimed
CN-117003703-A 2- (2- (4-secondary amine substituted anilino) pyrimidin-4-yl) aminobenzoate or amide derivative and application thereof 长治学院 2023-11-07 CN disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
WO-2022257732-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES AND APPLICATION THEREOF 腾讯科技(深圳)有限公司 2022-12-15 WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 US disclosed
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2020-04-07 US disclosed
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2020-04-07 US disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO 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
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 (5 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 NTSR1 2182/4885ALDH1A1 3410/4885CYP3A4 1025/4885
US-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP NTSR1 2523/4885ALDH1A1 252/4885CYP3A4 602/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 NTSR1 2386/4885ALDH1A1 3822/4885CYP3A4 1058/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD NTSR1 3842/4885ALDH1A1 647/4885CYP3A4 555/4885
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors TTBK1, TTK, TTBK2 NTSR1 2811/4885ALDH1A1 3510/4885CYP3A4 3925/4885

“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.