SCHEMBL7804103

SCHEMBL7804103

CNc1ncnc2ccc(I)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.54
CYP3A4 P08684 7/20 0.54
CYP2D6 P10635 6/20 0.54
CYP2C19 P33261 6/20 0.54
CLK4 Q9HAZ1 5/20 0.54
TSHR P16473 1/20 0.54
MAP4K4 O95819 1/20 0.54
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 4/20 0.51
LMNA P02545 4/20 0.51
USP2 O75604 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 6/20 0.45
HTT P42858 3/20 0.45
ERBB2 P04626 3/20 0.44

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
SCHEMBL13283265 0.81 HTT (0.69) TSHRMAP4K4ALDH1A1HSD17B10LMNA
SCHEMBL2622072 0.80 HTT (0.68) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL8297788 0.80 HTT (0.64) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL9128540 0.79 EGFR (0.64) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL28475211 0.78 CD38 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL1585784 0.78 HTT (0.47) CYP1A2CYP2D6CLK4MAP4K4ALDH1A1
SCHEMBL28469603 0.78 MAPK1 (0.65) ALDH1A1LMNAMAPK1HPGDKDM4E
SCHEMBL15587953 0.77 CD38 (0.64) CYP1A2CYP3A4CLK4MAP4K4ALDH1A1
SCHEMBL1584864 0.77 IRAK4 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL1192879 0.77 EGFR (0.70) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042764-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS THERAS INC (US) 2026-02-12 US disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
CN-1101386-C Trisubstd phenyl derivs NOVARTIS AG (CH) 2003-02-12 CN disclosed
EP-0815087-B1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US disclosed
CN-1183774-A Trisubstd phenyl derivs CIBA GEIGY AG (CH) 1998-06-03 CN disclosed
EP-0815087-A1 TRISUBSTITUTED PHENYL DERIVATIVES Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028430-A1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 1996-09-19 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-20260042764-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS KRAS, NRAS, HRAS CYP1A2 2360/4885CYP3A4 1482/4885CYP2D6 199/4885

“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.