SCHEMBL1900160

SCHEMBL1900160

CCN1CCN(c2ccc(-c3sc4c(N)nc(N)nc4c3-c3cnc4ccccc4c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.49
DHFR P00374 3/20 0.41
ACHE P22303 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
DYRK1A Q13627 1/20 0.38
HTR3A P46098 1/20 0.37
KDM1A O60341 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAD52 P43351 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1899203 0.92 PTK2 (0.44) PTK2DHFRADORA2AADORA1
SCHEMBL1901156 0.91 PTK2 (0.41) PTK2DHFRADORA2AADORA1DYRK1A
SCHEMBL1898601 0.88 PIK3CA (0.43) DHFRADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL1898605 0.79 ATR (0.43) PIK3CA
SCHEMBL1900162 0.78 PTK2 (0.61) PTK2ACHEADORA2AADORA1PRKDC
SCHEMBL12675484 0.72 PTK2 (0.75) PTK2KDM1AADRA2AADRA2BADRA2C
SCHEMBL12676073 0.67 PTK2 (0.65) PTK2
SCHEMBL27632977 0.66 ACHE (0.64) PTK2ACHEDYRK1AHTR3AADRA2C
SCHEMBL5162476 0.66 GAA (0.61) ACHEADORA2AADORA1KDM1AADRA2A
SCHEMBL1359352 0.65 HEXA (0.62) DHFRADRA2ASMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-10 US claimed
WO-2011062372-A2 2, 4, 7 -SUBSTITUTED THIENO [3, 2 -D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-26 WO claimed
US-9422307-B2 2,4,7-substituted thieno[3,2-d]pyrimidine compounds as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US disclosed
US-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-10 US disclosed
WO-2011062372-A2 2, 4, 7 -SUBSTITUTED THIENO [3, 2 -D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-26 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 (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-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK2, TK1, MAP4K2 PTK2 241/4885DHFR 1123/4885ACHE 4829/4885

“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.