SCHEMBL1982809

SCHEMBL1982809

c1ccc2c(c1)CCCc1nccn1-2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
DRD4 P21917 1/20 0.42
ROCK1 Q13464 2/20 0.40
AVPR1A P37288 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
TSHR P16473 2/20 0.37
SRD5A1 P18405 1/20 0.36
RIPK1 Q13546 1/20 0.36
GAA P10253 1/20 0.36
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL10780626 0.89 SRD5A1 (0.41) SMN1; SMN2LMNADRD4ROCK1ALDH1A1
SCHEMBL4019735 0.80 HPGD (0.34) SMN1; SMN2ROCK1TSHRSRD5A1RIPK1
SCHEMBL2061755 0.78 BRD4 (0.39) DRD4ROCK1ALDH1A1
SCHEMBL8032869 0.75 AVPR1A (0.41) SMN1; SMN2AVPR1AMEN1KMT2ATSHR
SCHEMBL21061364 0.72 CYP11B2 (0.45) SMN1; SMN2LMNADRD4AVPR1AALDH1A1
SCHEMBL5738839 0.71 BRD4 (0.51) DRD4AVPR1AALDH1A1MEN1KMT2A
SCHEMBL24194048 0.70 SMN1; SMN2 (0.43) SMN1; SMN2LMNADRD4ROCK1AVPR1A
SCHEMBL1975907 0.70 SRD5A1 (0.48) DRD4ALDH1A1MAPTMEN1KMT2A
SCHEMBL16207990 0.69 TSHR (0.38) ALDH1A1TSHRRIPK1GAANOTUM
SCHEMBL432928 0.69 GRM5 (0.43) LMNAMAPTRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265100-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-08-24 US disclosed
US-11667643-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
CN-116209662-A RIP1K inhibitors 里格尔药品股份有限公司 2023-06-02 CN disclosed
US-20220009936-A1 RIP1K INHIBITORS MIDCAP FINANCIAL TRUST 2022-01-13 US disclosed
WO-2022005898-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2022-01-06 WO disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
EP-2509981-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Eli Lilly and Company (US) 2012-10-17 EP disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET SMN1; SMN2 2836/4885LMNA 3814/4885DRD4 409/4885
US-20230265100-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 SMN1; SMN2 1932/4885LMNA 2114/4885DRD4 4869/4885
US-20220009936-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 SMN1; SMN2 1932/4885LMNA 2114/4885DRD4 4869/4885
US-11667643-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 SMN1; SMN2 1932/4885LMNA 2114/4885DRD4 4869/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET SMN1; SMN2 2836/4885LMNA 3814/4885DRD4 409/4885

“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.