SCHEMBL4079977

SCHEMBL4079977

Oc1ncnc2c1CCN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.49
SLC6A5 Q9Y345 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PNMT P11086 1/20 0.44
C5AR1 P21730 1/20 0.43
ADORA1 P30542 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
ERN1 O75460 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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 SCHEMBL4982981 0.99 LIMK1 (0.48) LIMK1SLC6A5KMT2AMEN1RXFP1
SCHEMBL4976746 0.90 SIGMAR1 (0.47) LIMK1SLC6A5KMT2AMEN1NPC1
SCHEMBL1911808 0.89 KMT2A (0.52) LIMK1KMT2AMEN1RXFP1KDM4E
SCHEMBL1549990 0.84 KMT2A (0.51) LIMK1SLC6A5KMT2AMEN1KDM4E
SCHEMBL14111444 0.83 LIMK1 (0.49) LIMK1SLC6A5KMT2AMEN1KDM4E
SCHEMBL4982960 0.83 LIMK1 (0.61) LIMK1SLC6A5KMT2AMEN1KDM4E
SCHEMBL1898923 0.83 ADORA1 (0.49) LIMK1SLC6A5KMT2AMEN1RXFP1
SCHEMBL5772203 0.83 LIMK1 (0.46) LIMK1SLC6A5KMT2AMEN1KDM4E
SCHEMBL5775686 0.83 SLC6A5 (0.47) LIMK1SLC6A5KMT2AMEN1KDM4E
SCHEMBL12386805 0.82 P2RX7 (0.50) LIMK1SLC6A5KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677729-A AAK1 inhibitors 武汉人福创新药物研发中心有限公司 2023-02-03 CN disclosed
CN-108431001-B Fused ring pyrimidine compound or salt thereof 大鹏药品工业株式会社 2021-09-17 CN disclosed
EP-3381916-B1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-15 EP disclosed
US-10370372-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-08-06 US disclosed
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
US-20180312505-A1 FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
EP-3150599-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-10-24 EP disclosed
EP-3381916-A1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-03 EP disclosed
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9889136-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-02-13 US disclosed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US disclosed
US-6750214-B2 PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COLLIS ALAN JOHN (US) 2004-06-15 US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP disclosed
EP-0877734-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Research and Development Company, N.V./S.A. (IE) 1998-11-18 EP disclosed
WO-1997023462-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-03 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 LIMK1 3676/4885SLC6A5 4875/4885KMT2A 3134/4885
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR LIMK1 3253/4885SLC6A5 628/4885KMT2A 1136/4885
US-20180312505-A1 FUSED PYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, FSHR LIMK1 3074/4885SLC6A5 1780/4885KMT2A 1117/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD LIMK1 3588/4885SLC6A5 431/4885KMT2A 1083/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B LIMK1 3252/4885SLC6A5 2387/4885KMT2A 2003/4885
US-10370372-B2 Fused pyrimidine compound or salt thereof AR, NR5A1, FSHR LIMK1 3074/4885SLC6A5 1780/4885KMT2A 1117/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 LIMK1 3292/4885SLC6A5 2298/4885KMT2A 1969/4885

“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.