SCHEMBL2816669

SCHEMBL2816669

CN1CCC(Nc2nc3c4c(n[nH]c4n2)CCN3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.38
CCND1 P24385 5/20 0.38
CCND3 P30281 3/20 0.38
CDK6 Q00534 3/20 0.38
CDK1 P06493 4/20 0.37
CCNB1 P14635 4/20 0.37
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37
CCNA1 P78396 4/20 0.37
IKBKB O14920 2/20 0.36
IDH2 P48735 1/20 0.34
MAPK8 P45983 2/20 0.34
RET P07949 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
BTK Q06187 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
EHMT2 Q96KQ7 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
SCHEMBL2814036 0.85 KDM4E (0.37) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2812119 0.79 KDM4E (0.36) CDK4CCND1CCND3CDK6CDK1
SCHEMBL537815 0.72 MAPK7 (0.40) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2816676 0.68 IKBKB (0.37) CDK4CCND1CCND3CDK6CDK1
SCHEMBL537750 0.66 HTT (0.39)
SCHEMBL8386229 0.65 HRH4 (0.41) CDK4CCND1CCND3CDK6CDK1
SCHEMBL5001985 0.63 CDK2 (0.50) CDK4CCND1CCND3CDK6CDK1
SCHEMBL4829461 0.63 HRH4 (0.52) CDK1IKBKBIDH2POLBHRH4
SCHEMBL2812440 0.63 HSD17B10 (0.42) CDK2
SCHEMBL2811779 0.62 ADRB2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 CDK4 10/4885CCND1 158/4885CCND3 180/4885

“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.