SCHEMBL4902105

SCHEMBL4902105

Cc1nc2ccncc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2C(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
AOC3 Q16853 3/20 0.38
KCNH2 Q12809 5/20 0.36
IDO1 P14902 2/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CCR5 P51681 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4902112 1.00 CYP11B2 (0.40) CYP11B2CYP11B1AOC3KCNH2IDO1
SCHEMBL4901357 0.80 CYP11B2 (0.38) CYP11B2CYP11B1AOC3KCNH2IDO1
SCHEMBL4901353 0.80 CYP11B2 (0.38) CYP11B2CYP11B1AOC3KCNH2IDO1
SCHEMBL8258510 0.79 CCR5 (0.38) CYP11B2CYP11B1AOC3KCNH2IDO1
SCHEMBL4011542 0.77 CCR5 (0.42) CYP11B2AOC3KCNH2LMNACCR5
SCHEMBL6167224 0.77 CCR5 (0.42) CYP11B2AOC3KCNH2LMNACCR5
SCHEMBL4011538 0.77 CCR5 (0.42) CYP11B2AOC3KCNH2LMNACCR5
SCHEMBL6167230 0.77 CCR5 (0.42) CYP11B2AOC3KCNH2LMNACCR5
SCHEMBL8255904 0.76 CYP11B2 (0.36) CYP11B2CYP11B1AOC3KCNH2IDO1
SCHEMBL4711526 0.72 AOC3 (0.44) CYP11B2CYP11B1AOC3KCNH2

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CYP11B2 278/4885CYP11B1 334/4885AOC3 145/4885

“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.