SCHEMBL1719924

SCHEMBL1719924

CC(=O)Cc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.40
P2RX7 Q99572 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL30193187 0.82 LMNA (0.50) LMNAHTTALDH1A1CYP1A2TSHR
SCHEMBL5094342 0.79 P2RX7 (0.41) LMNAHTTALDH1A1CYP1A2TSHR
SCHEMBL2948061 0.79 P2RX7 (0.36) LMNAHTTALDH1A1CYP1A2TSHR
SCHEMBL28182827 0.78 ALDH1A1 (0.34) LMNAHTTALDH1A1P2RX7L3MBTL1
SCHEMBL874090 0.77 CYP1A2 (0.50) LMNAHTTALDH1A1CYP1A2TSHR
SCHEMBL28435181 0.76 ALDH1A1 (0.48) LMNAHTTALDH1A1CYP1A2TSHR
SCHEMBL13564586 0.75 LMNA (0.33) LMNAHTTALDH1A1KDM4E
SCHEMBL7769482 0.75 P2RX7 (0.38) LMNAHTTALDH1A1CYP1A2TSHR
Hydrochloric Acid SCHEMBL6645397 0.75 KDM4E (0.48) LMNAHTTALDH1A1CYP1A2TSHR
SCHEMBL77616 0.75 HTT (0.48) HTTCYP1A2P2RX7KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334968-B1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-01-11 EP claimed
EP-2025665-B1 Process for producing substituted aniline compound IHARA CHEMICAL IND CO (JP) 2010-09-15 EP claimed
US-7521555-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-04-21 US claimed
US-7504503-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-17 US claimed
EP-2025665-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2009-02-18 EP claimed
EP-1440063-B1 PROCESS FOR THE PREPARATION OF 1-(PYRIMIDIN-2-YL)PROPAN-2-ONES LONZA AG (CH) 2008-03-12 EP claimed
US-20070213533-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-13 US claimed
US-20060281765-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-12-14 US claimed
US-7141670-B2 Process for the preparation of 1-(pyrimidin-2-yl)propan-2-ones LONZA LTD. (CH) 2006-11-28 US claimed
US-20040242877-A1 Process for the preparation of 1-(pyrimidin-2-yl) Propan-2-ones IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2004-12-02 US claimed
EP-1440063-A1 PROCESS FOR THE PREPARATION OF 1-(PYRIMIDIN-2-YL)PROPAN-2-ONES LONZA LTD. (CH) 2004-07-28 EP claimed
US-20040034251-A1 Process for production of substituted aniline compound 1HARA CHEMICAL INDUSTRY CO., LT.D. (JP) 2004-02-19 US claimed
EP-1334968-A1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2003-08-13 EP claimed
WO-2003033475-A1 PROCESS FOR THE PREPARATION OF 1-(PYRIMIDIN-2-YL)PROPAN-2-ONES LONZA LTD. (CH) 2003-04-24 WO claimed
EP-0347866-B1 ANILINOPYRIMIDINE DERIVATIVES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-07 EP claimed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-1334968-A1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2003-08-13 EP disclosed
WO-2003033475-A1 PROCESS FOR THE PREPARATION OF 1-(PYRIMIDIN-2-YL)PROPAN-2-ONES LONZA LTD. (CH) 2003-04-24 WO disclosed
WO-2003033475-A1 PROCESS FOR THE PREPARATION OF 1-(PYRIMIDIN-2-YL)PROPAN-2-ONES LONZA LTD. (CH) 2003-04-24 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 (4 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-20040034251-A1 Process for production of substituted aniline compound NAT1, CBR3, AADAC LMNA 3459/4885HTT 2412/4885ALDH1A1 189/4885
US-20040242877-A1 Process for the preparation of 1-(pyrimidin-2-yl) Propan-2-ones DHPS, PDK2, PDHA2 LMNA 944/4885HTT 3957/4885ALDH1A1 38/4885
US-20060281765-A1 Process for producing substituted aniline compound CBR3, AADAC, NAT1 LMNA 3401/4885HTT 1962/4885ALDH1A1 207/4885
US-20070213533-A1 Process for producing substituted aniline compound AADAC, NAT1, CBR3 LMNA 2916/4885HTT 1933/4885ALDH1A1 212/4885

“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.