SCHEMBL17107359

SCHEMBL17107359

CCCc1cc(N2CCCC2C)nc(Nc2ccc(F)c(N)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ GALR1 P47211 1/20 0.35
▸ SMARCA2 P51531 3/20 0.35
▸ SMARCA4 P51532 3/20 0.35
▸ PBRM1 Q86U86 3/20 0.35
▸ NR1I2 O75469 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12484566 1.00 SMPD3 (0.36) SMPD3HRH3JAK3LCKGALR2
SCHEMBL17107358 0.89 SMPD3 (0.39) SMPD3HRH3SMARCA2SMARCA4PBRM1
SCHEMBL12485263 0.89 SMPD3 (0.39) SMPD3HRH3SMARCA2SMARCA4PBRM1
SCHEMBL17107357 0.89 SMPD3 (0.36) SMPD3HRH3JAK3LCKSMARCA2
SCHEMBL12485805 0.89 SMPD3 (0.36) SMPD3HRH3JAK3LCKSMARCA2
SCHEMBL12484038 0.88 ADORA2A (0.38) SMARCA2SMARCA4PBRM1NR1I2NR1H2
SCHEMBL12484034 0.88 ADORA2A (0.38) SMARCA2SMARCA4PBRM1NR1I2NR1H2
SCHEMBL12485353 0.87 SYK (0.40) HRH3JAK3LCKGALR2GALR1
SCHEMBL12485215 0.87 GALR1 (0.39) SMPD3HRH3JAK3GALR2GALR1
SCHEMBL12485127 0.87 LCK (0.41) HRH3JAK3LCKGALR2GALR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 — — US claimed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 — — 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 (1 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 2267/4885HRH3 50/4885JAK3 1012/4885

“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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