SCHEMBL1741308

SCHEMBL1741308

Cc1cccc(N)c1-c1nnnn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CD44 P16070 1/20 0.41
LMNA P02545 1/20 0.40
DPP4 P27487 1/20 0.39
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX7 Q99572 1/20 0.35
KCNN4 O15554 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.34
HTR2C P28335 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMO O15229 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
SCHEMBL9822895 0.77 P2RX7 (0.40) SMN1; SMN2CD44LMNATSHRALDH1A1
SCHEMBL19463315 0.77 KCNN4 (0.40) SMN1; SMN2CD44LMNACYP3A4TSHR
SCHEMBL12500994 0.73 P2RX7 (0.54) LMNATSHRALDH1A1KDM4EP2RX7
SCHEMBL15698665 0.72 TYK2 (0.41) SMN1; SMN2LMNATSHRNPSR1P2RX7
SCHEMBL22786993 0.72 KCNN4 (0.47) SMN1; SMN2LMNATSHRALDH1A1NPSR1
SCHEMBL30839716 0.71 CD44 (0.65) SMN1; SMN2CD44DPP4CYP3A4TDP1
SCHEMBL3462069 0.71 CD44 (0.65) SMN1; SMN2CD44DPP4CYP3A4TDP1
SCHEMBL30136797 0.70 SMN1; SMN2 (0.50) SMN1; SMN2LMNATSHRALDH1A1KDM4E
SCHEMBL584175 0.70 SMN1; SMN2 (0.50) SMN1; SMN2LMNATSHRALDH1A1KDM4E
SCHEMBL3348708 0.70 SMN1; SMN2 (0.50) SMN1; SMN2LMNACYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389373-B1 DERIVATIVES OF N2-(3-PYRIDYL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS INC (US) 2017-05-17 EP disclosed
US-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8377924-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US disclosed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US 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 (2 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-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB SMN1; SMN2 1709/4885CD44 3900/4885LMNA 892/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB SMN1; SMN2 1709/4885CD44 3900/4885LMNA 892/4885

“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.