SCHEMBL12485263

SCHEMBL12485263

CCCc1cc(N2CCC[C@H]2C)nc(Nc2ccc(C)c(N)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAP4K1 Q92918 10/20 0.36
▸ LCP2 Q13094 1/20 0.36
▸ NR1I2 O75469 2/20 0.35
▸ SMARCA2 P51531 2/20 0.35
▸ SMARCA4 P51532 2/20 0.35
▸ PBRM1 Q86U86 2/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ NR1H2 P55055 1/20 0.35

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
SCHEMBL17107358 1.00 SMPD3 (0.39) SMPD3HTTHRH3LMNAHSP90AA1
SCHEMBL17107359 0.89 SMPD3 (0.36) SMPD3HRH3SMN1; SMN2ADORA2AADORA1
SCHEMBL12485805 0.89 SMPD3 (0.36) SMPD3HTTHRH3MAPTSMN1; SMN2
SCHEMBL17107357 0.89 SMPD3 (0.36) SMPD3HTTHRH3MAPTSMN1; SMN2
SCHEMBL12484566 0.89 SMPD3 (0.36) SMPD3HRH3SMN1; SMN2ADORA2AADORA1
SCHEMBL12485218 0.89 TDP1 (0.43) HRH3LMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL12485222 0.89 TDP1 (0.43) HRH3LMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL12484599 0.88 ADORA2A (0.41) HTTMAPTADORA2AADORA1NR1I2
SCHEMBL12485215 0.88 GALR1 (0.39) SMPD3HRH3LMNAMAPT
SCHEMBL12484597 0.88 ADORA2A (0.41) HTTMAPTADORA2AADORA1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890138-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2018-02-13 — — US claimed
EP-2678332-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-05-18 — — EP claimed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 — — US claimed
EP-2678332-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP claimed
WO-2012115480-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 — — WO claimed
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2019-03-12 — — US disclosed
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-04-26 — — US disclosed
EP-2678332-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-05-18 — — EP disclosed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 — — US disclosed
EP-2678332-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP disclosed
WO-2012115480-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 — — 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 (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-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 SMPD3 2267/4885HTT 3872/4885HRH3 50/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 SMPD3 2267/4885HTT 3872/4885HRH3 50/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 SMPD3 2267/4885HTT 3872/4885HRH3 50/4885

“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.

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