SCHEMBL2325950

SCHEMBL2325950

Nc1ccc(OCc2ccccn2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 2/20 0.47
MAOA P21397 1/20 0.47
SYK P43405 9/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
MAPT P10636 1/20 0.43
HRH1 P35367 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
CHRNA7 P36544 1/20 0.41

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
SCHEMBL9719821 0.83 SYK (0.58) PARP10KDM4EALDH1A1SMN1; SMN2MAOA
SCHEMBL31424381 0.82 KDM4E (0.50) PARP10KDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL12260774 0.82 KDM4E (0.50) PARP10KDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL27299169 0.82 FFAR1 (0.53) PARP10KDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL9719816 0.82 MAPT (0.53) PARP10KDM4EALDH1A1SMN1; SMN2MAOA
SCHEMBL29468851 0.79 KDM4E (0.50) PARP10KDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL20526953 0.79 PARP10 (0.51) PARP10KDM4EALDH1A1SMN1; SMN2MAOA
SCHEMBL8306570 0.79 SYK (0.54) PARP10FFAR1SYKHRH1AURKB
SCHEMBL510273 0.78 KDM4E (0.61) PARP10KDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL10269423 0.78 PARP10 (0.48) PARP10KDM4EALDH1A1SMN1; SMN2FFAR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 US disclosed
EP-3856726-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE Black Diamond Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 US disclosed
WO-2020068867-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed
WO-2011099764-A2 NOVEL PYRIMIDINE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI HOLDINGS CO., LTD. (KR) 2011-08-18 WO disclosed
US-5955464-A USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-21 US disclosed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (3 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-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use ERBB2, ERBB3, EGFR PARP10 3839/4885KDM4E 1323/4885ALDH1A1 3365/4885
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR PARP10 3839/4885KDM4E 1323/4885ALDH1A1 3365/4885
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR PARP10 3839/4885KDM4E 1323/4885ALDH1A1 3365/4885

“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.