SCHEMBL5914231

SCHEMBL5914231

CN(c1cccc(-c2ccccc2C(F)(F)F)n1)c1ccnc(NCCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ TSHR P16473 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CDK2 P24941 2/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CYP2C19 P33261 6/20 0.41
▸ CYP2D6 P10635 5/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HRH2 P25021 1/20 0.41

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
SCHEMBL5913817 0.86 CCNT1 (0.45) CDK2CCNT1CCNA2CDK9HTR7
SCHEMBL5913889 0.84 MAPT (0.43) CYP1A2CDK2CCNT1CCNA2CDK9
SCHEMBL5914156 0.83 HTR7 (0.46) HIF1ACDK2CCNT1CCNA2CDK9
SCHEMBL5914257 0.83 MAPT (0.45) CYP1A2CDK2CCNT1CCNA2CDK9
SCHEMBL5914278 0.82 CYP1A2 (0.53) CYP1A2CYP3A4TSHRHSD17B10HIF1A
SCHEMBL5914059 0.80 HTR7 (0.43) CDK2CCNT1CCNA2CDK9HTR7
SCHEMBL5913829 0.78 MAPK14 (0.45) HIF1ACDK2CCNT1CCNA2CDK9
SCHEMBL5913939 0.78 HTR7 (0.44) TDP1CDK2CCNT1CCNA2CDK9
SCHEMBL5913967 0.77 HTR7 (0.48) CYP1A2CYP3A4HSD17B10MAPK1CDK2
SCHEMBL5914306 0.73 MKNK1 (0.47) HIF1ACDK2CCNT1CCNA2CDK9

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP CYP1A2 1159/4885CYP3A4 1290/4885TSHR 2106/4885

“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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