SCHEMBL177771

SCHEMBL177771

Nc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
TDP1 Q9NUW8 3/20 0.70
TSHR P16473 2/20 0.70
CYP3A4 P08684 1/20 0.70
MAOA P21397 2/20 0.58
MAPT P10636 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 3/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
KCNA1 Q09470 1/20 0.57
TEAD4 Q15561 1/20 0.56
MAOB P27338 1/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.54
MITF O75030 1/20 0.54
GAA P10253 1/20 0.54

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 SCHEMBL4729720 0.98 ALDH1A1 (0.67) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL4446167 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL1331804 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL41849 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL4455485 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL2013073 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL65211 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL10576066 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL202864 0.84 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL8540552 0.84 LMNA (0.47) ALDH1A1TDP1TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US claimed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
CN-115340526-B Phthalimide compound, pharmaceutical composition, preparation method and application thereof 中国科学院上海药物研究所 2024-02-02 CN disclosed
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
EP-4219489-A2 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF Washington University (US) 2023-08-02 EP disclosed
US-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2023-06-22 US disclosed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US disclosed
EP-1208096-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-05-29 EP disclosed
WO-2001010859-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-02-15 WO disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO 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-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 ALDH1A1 3887/4885TDP1 2011/4885TSHR 3964/4885
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 296/4885TDP1 1545/4885TSHR 2648/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 ALDH1A1 3966/4885TDP1 3873/4885TSHR 3263/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 342/4885TDP1 979/4885TSHR 1731/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 ALDH1A1 3947/4885TDP1 1272/4885TSHR 3707/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH ALDH1A1 4726/4885TDP1 4367/4885TSHR 229/4885
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 ALDH1A1 2841/4885TDP1 2698/4885TSHR 4447/4885

“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.