SCHEMBL6029490

SCHEMBL6029490

CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)NCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HMGCR P04035 1/20 0.45
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MELK Q14680 1/20 0.43
MAPT P10636 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK14 Q16539 2/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 1/20 0.40
SCD O00767 1/20 0.40

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
SCHEMBL6029439 0.89 SMN1; SMN2 (0.48) SMN1; SMN2HMGCRNPC1LMNAPOLB
SCHEMBL6028798 0.87 MAPK1 (0.49) LMNAALDH1A1MAPTMAPK1MAPK14
SCHEMBL4336706 0.87 MAPK14 (0.43) ALDH1A1MAPK14
SCHEMBL4340891 0.85 MAPK14 (0.44) SMN1; SMN2ALDH1A1MAPK14NAMPTHPGD
SCHEMBL6029308 0.82 TACR1 (0.41) SMN1; SMN2MAPK14
SCHEMBL6029008 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MAPK14NAMPT
SCHEMBL6029791 0.80 MAPK14 (0.49) LMNAALDH1A1MAPTMAPK1MAPK14
SCHEMBL6177634 0.80 MAPK14 (0.49) RAB9AMAPK14
SCHEMBL6029537 0.79 MAPK14 (0.42) LMNAALDH1A1MAPTMAPK14
SCHEMBL6741370 0.78 MAPK14 (0.42) SMN1; SMN2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281604-C Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2006-10-25 CN disclosed
US-7087624-B2 Substituted pyrazole compounds TEIKOJU HORMONE MFG. CO., LTD. (JP) 2006-08-08 US disclosed
EP-1188754-B1 SUBSTITUTED PYRAZOLE COMPOUNDS TEIKOKU HORMONE MFG CO LTD (JP) 2005-06-01 EP disclosed
CN-1560051-A Substituted pyrazole compounds �۹���ҩ��ʽ���� 2005-01-05 CN disclosed
CN-1178931-C Substituted pyrazole compounds �۹���ҩ��ʽ���� 2004-12-08 CN disclosed
US-20040087628-A1 Substituted pyrazole compounds MINAMI NOBUYOSHI (JP) 2004-05-06 US disclosed
US-6667325-B1 P38MAP kinase inhibiters; tumor necrosis factor alpha, interleukin 1 and 6 and cyclooxygenase II related diseases TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-12-23 US disclosed
CN-1353704-A Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2002-06-12 CN disclosed
EP-1188754-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-03-20 EP 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-20040087628-A1 Substituted pyrazole compounds CNKSR1, MAPK1, IRAK1 SMN1; SMN2 4543/4885HMGCR 3177/4885NPC1 3325/4885

“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.