SCHEMBL3589539

SCHEMBL3589539

c1cc2cnc(N3CCCCC3)nc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.49
JAK3 P52333 2/20 0.46
ROCK2 O75116 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
TSHR P16473 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PTPN11 Q06124 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL9277647 0.98 OGA (0.50) OGAJAK3ROCK2SMN1; SMN2POLB
SCHEMBL30945067 0.86 ROCK2 (0.58) OGAROCK2SMN1; SMN2USP2TDP1
SCHEMBL30945083 0.85 ROCK2 (0.50) OGAROCK2SMN1; SMN2POLBTSHR
Hydrochloric Acid SCHEMBL6017462 0.84 ROCK2 (0.49) OGAROCK2SMN1; SMN2POLBTSHR
SCHEMBL1360345 0.84 PIK3CA (0.58) OGAJAK3POLBCCNT1CCNA2
SCHEMBL2017303 0.81 LCK (0.51) OGAJAK3TSHRALDH1A1HTR2A
SCHEMBL30945065 0.80 LMNA (0.46) OGAJAK3ALDH1A1
SCHEMBL30945071 0.78 LMNA (0.50) OGAJAK3TSHRALDH1A1
SCHEMBL30945088 0.76 OGA (0.42) OGAPTPN11
SCHEMBL29652391 0.75 CDK8 (0.56) JAK3ROCK2CCNT1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 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-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 OGA 4847/4885JAK3 1/4885ROCK2 1102/4885

“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.