SCHEMBL2348938

SCHEMBL2348938

Nc1cccc(OCCCN2CCCC2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
PDK2 Q15119 3/20 0.52
LTA4H P09960 1/20 0.48
EGFR P00533 1/20 0.47
ITK Q08881 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
FFAR1 O14842 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 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
SCHEMBL2227579 0.93 POLB (0.69) POLBPDK2LTA4HEGFRITK
SCHEMBL15075257 0.84 L3MBTL1 (0.61) POLBPDK2LMNANPC1ATM
SCHEMBL14795046 0.83 POLB (0.61) POLBPDK2LMNANPC1KMT2A
SCHEMBL21443660 0.82 POLB (0.58) POLBPDK2EGFRITKLMNA
SCHEMBL13185116 0.82 KDM4E (0.59) POLBPDK2LMNANPC1ATM
SCHEMBL13165247 0.81 POLB (0.57) POLBPDK2EGFRITKLMNA
SCHEMBL18737237 0.81 POLB (0.57) POLBPDK2EGFRITKTSHR
SCHEMBL12518634 0.80 POLB (0.56) POLBPDK2LTA4HLMNAKMT2A
SCHEMBL13106477 0.79 POLB (0.67) POLBPDK2TSHRNPC1ATM
SCHEMBL12518392 0.78 SIGMAR1 (0.53) POLBPDK2NPC1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
CN-102083800-A Heteroaryl compounds and uses thereof AVILA THERAPEUTICS AND USES TH 2011-06-01 CN disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 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 (6 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 POLB 3726/4885PDK2 1150/4885LTA4H 390/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 POLB 3726/4885PDK2 1150/4885LTA4H 390/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK POLB 1191/4885PDK2 330/4885LTA4H 3529/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 POLB 3726/4885PDK2 1150/4885LTA4H 390/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 POLB 1267/4885PDK2 332/4885LTA4H 4366/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK POLB 1191/4885PDK2 330/4885LTA4H 3529/4885

“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.