SCHEMBL31485471

SCHEMBL31485471

CCOc1nc(N2CCNC(CC)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ MAPT P10636 3/20 0.40
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ PTPN11 Q06124 3/20 0.37
▸ CTNNB1 P35222 4/20 0.34
▸ TCF7L2 Q9NQB0 4/20 0.34
▸ LCK P06239 2/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ PRKCE Q02156 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
Trifluoroacetic Acid SCHEMBL31148452 0.96 HTT (0.51) HTTMAPTROCK2ROCK1POLB
SCHEMBL31148427 0.93 HTT (0.47) HTTMAPTPOLBPTPN11CTNNB1
SCHEMBL30423043 0.93 HTT (0.47) HTTMAPTPOLBPTPN11CTNNB1
SCHEMBL31485476 0.92 HTT (0.46) HTTMAPTROCK2POLBPTPN11
SCHEMBL31485466 0.92 HTT (0.46) HTTMAPTROCK2POLBPTPN11
Hydrochloric Acid SCHEMBL30422837 0.92 HTT (0.47) HTTMAPTPOLBPTPN11CTNNB1
Hydrochloric Acid SCHEMBL25421188 0.92 HTT (0.45) HTTMAPTROCK2POLBPTPN11
Hydrochloric Acid SCHEMBL30421555 0.92 HTT (0.45) HTTMAPTROCK2POLBPTPN11
Hydrochloric Acid SCHEMBL25421178 0.92 HTT (0.45) HTTMAPTROCK2POLBPTPN11
Trifluoroacetic Acid SCHEMBL31485480 0.88 HTT (0.43) HTTMAPTPOLBPTPN11CTNNB1

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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-04-17 — — 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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RTCB, NSUN2, PRPF19 HTT 3559/4885MAPT 4668/4885ROCK2 4776/4885

“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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